NAV

Bolandiol

Identification

Generic Name
Bolandiol
DrugBank Accession Number
DB01554
Background

Not Available

Type
Small Molecule
Groups
Experimental, Illicit
Structure
3D
Similar Structures
Weight
Average: 276.42
Monoisotopic: 276.208930142
Chemical Formula
C18H28O2
Synonyms
  • 19-nor-4-androstenediol
  • 3beta,17beta-dihydroxyestr-4-ene
  • 4-norendiol
  • Bolandiol

Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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Pharmacodynamics

Not Available

Mechanism of action
Not Available
Absorption

Not Available

Volume of distribution

Not Available

Protein binding

Not Available

Metabolism
Not Available
Route of elimination

Not Available

Half-life

Not Available

Clearance

Not Available

Adverse Effects
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Toxicity

Not Available

Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
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Beclomethasone dipropionateThe risk or severity of edema formation can be increased when Bolandiol is combined with Beclomethasone dipropionate.
BetamethasoneThe risk or severity of edema formation can be increased when Bolandiol is combined with Betamethasone.
Betamethasone phosphateThe risk or severity of edema formation can be increased when Bolandiol is combined with Betamethasone phosphate.
BudesonideThe risk or severity of edema formation can be increased when Bolandiol is combined with Budesonide.
CiclesonideThe risk or severity of edema formation can be increased when Bolandiol is combined with Ciclesonide.
Clobetasol propionateThe risk or severity of edema formation can be increased when Bolandiol is combined with Clobetasol propionate.
CorticotropinThe risk or severity of edema formation can be increased when Bolandiol is combined with Corticotropin.
Corticotropin zinc hydroxideThe risk or severity of edema formation can be increased when Bolandiol is combined with Corticotropin zinc hydroxide.
Cortisone acetateThe risk or severity of edema formation can be increased when Bolandiol is combined with Cortisone acetate.
DeflazacortThe risk or severity of edema formation can be increased when Bolandiol is combined with Deflazacort.
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Food Interactions
Not Available

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as estrogens and derivatives. These are steroids with a structure containing a 3-hydroxylated estrane.
Kingdom
Organic compounds
Super Class
Lipids and lipid-like molecules
Class
Steroids and steroid derivatives
Sub Class
Estrane steroids
Direct Parent
Estrogens and derivatives
Alternative Parents
3-hydroxy delta-4-steroids / 3-beta-hydroxysteroids / 17-hydroxysteroids / Delta-4-steroids / Secondary alcohols / Cyclic alcohols and derivatives / Hydrocarbon derivatives
Substituents
17-hydroxysteroid / 3-beta-hydroxysteroid / 3-hydroxy-delta-4-steroid / 3-hydroxysteroid / Alcohol / Aliphatic homopolycyclic compound / Cyclic alcohol / Delta-4-steroid / Estrogen-skeleton / Hydrocarbon derivative
Molecular Framework
Aliphatic homopolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
49SD6G16U5
CAS number
19793-20-5
InChI Key
CMXKUJNZWYTFJN-XFUVECHXSA-N
InChI
InChI=1S/C18H28O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h10,12-17,19-20H,2-9H2,1H3/t12-,13-,14+,15+,16-,17-,18-/m0/s1
IUPAC Name
(1S,2R,5S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-ene-5,14-diol
SMILES
C[C@]12CC[C@H]3[C@@H](CCC4=C[C@@H](O)CC[C@H]34)[C@@H]1CC[C@@H]2O

References

General References
Not Available
PubChem Compound
9835303
PubChem Substance
46505759
ChemSpider
8011024
ChEBI
145661
ChEMBL
CHEMBL307500
ZINC
ZINC000026375797
Wikipedia
Bolandiol

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Solid
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.0566 mg/mLALOGPS
logP2.61ALOGPS
logP2.65Chemaxon
logS-3.7ALOGPS
pKa (Strongest Acidic)17.52Chemaxon
pKa (Strongest Basic)-0.82Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area40.46 Å2Chemaxon
Rotatable Bond Count0Chemaxon
Refractivity80.85 m3·mol-1Chemaxon
Polarizability33.3 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Drug created at July 31, 2007 13:10 / Updated at February 21, 2021 18:51